3-[4-(2-adamantyl)piperazin-4-ium-1-yl]carbonyl-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methyl-pyridin-4-one

Systemtic Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]carbonyl-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methyl-pyridin-4-one Openeye Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methyl-pyridin-4-one CAS Name: 3-[[4-(2-adamantyl)-1-piperazin-4-iumyl]-oxomethyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methyl-4-pyridinone IUPAC Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methylpyridin-4-one Traditional Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-carbonyl]-2-(cyclopentylmethyl)-1-(2-methoxyethyl)-6-methyl-4-pyridone Formula: C30H46N3O3+ MolecularWeight: 496.70454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)CC2CCCC2)C(=O)N3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)CC2CCCC2)C(=O)N3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C30H45N3O3/c1-20-13-27(34)28(26(33(20)11-12-36-2)19-21-5-3-4-6-21)30(35)32-9-7-31(8-10-32)29-24-15-22-14-23(17-24)18-25(29)16-22/h13,21-25,29H,3-12,14-19H2,1-2H3/p+1